Geometry & MOs

Info

ID:	70962
PubChem CID:	48414107
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	34.98
Dipole, Da:	2.1
IP(EA), eV:	-8.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=CC=C2NC3=CC=CC=C3

DOS

IR

Vibrations